N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C19H23F3N4OS — CID 58317384

IUPACN-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(NCC2CCC(NC(=O)c3cncc(C(F)(F)F)c3)CC2)sc1C
InChIInChI=1S/C19H23F3N4OS/c1-11-12(2)28-18(25-11)24-8-13-3-5-16(6-4-13)26-17(27)14-7-15(10-23-9-14)19(20,21)22/h7,9-10,13,16H,3-6,8H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyCOEGTXGZMPEXQW-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.57
Rot. Bonds5

About N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58317384) has the molecular formula C19H23F3N4OS and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58317384
Molecular FormulaC19H23F3N4OS
Molecular Weight412.48 g/mol
Exact Mass412.15
IUPAC NameN-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(NCC2CCC(NC(=O)c3cncc(C(F)(F)F)c3)CC2)sc1C
InChIInChI=1S/C19H23F3N4OS/c1-11-12(2)28-18(25-11)24-8-13-3-5-16(6-4-13)26-17(27)14-7-15(10-23-9-14)19(20,21)22/h7,9-10,13,16H,3-6,8H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyCOEGTXGZMPEXQW-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 58317384) is N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(NCC2CCC(NC(=O)c3cncc(C(F)(F)F)c3)CC2)sc1C.
What is the InChIKey of N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is COEGTXGZMPEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4OS/c1-11-12(2)28-18(25-11)24-8-13-3-5-16(6-4-13)26-17(27)14-7-15(10-23-9-14)19(20,21)22/h7,9-10,13,16H,3-6,8H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58317384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).